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CHEBI:57470 - (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−)

Default Structure
ChEBI IDCHEBI:57470
ChEBI Name(2E)-3-(methoxycarbonyl)pent-2-enedioate(2−)
Stars
ASCII Name(2E)-3-(methoxycarbonyl)pent-2-enedioate(2-)
DefinitionDianion of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid arising from deprotonation of both carboxylic acid functions.
Last Modified16 September 2021
DownloadsMolfile
FormulaC7H6O6
Net Charge-2
Average Mass186.119
Monoisotopic Mass186.01754
SMILESCOC(=O)/C(=C/C(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/p-2/b4-2+
InChIKeyBRYKYSQCLNCYQW-DUXPYHPUSA-L
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) is a dicarboxylic acid dianion (CHEBI:28965)
(2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) is conjugate base of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663)
Incoming Relation(s)
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is conjugate acid of (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470)
IUPAC Name 
(2E)-3-(methoxycarbonyl)pent-2-enedioate
Synonym  Source
(2E)-3-(methoxycarbonyl)pent-2-enedioate dianionChEBI
UniProt Name  Source
(E)-3-(methoxycarbonyl)pent-2-enedioateUniProt